File(s) stored somewhere else

Please note: Linked content is NOT stored on Technical University of Denmark and we can't guarantee its availability, quality, security or accept any liability.

Quantum Point Defects in 2D Materials (QPOD) Database

The database contains structural, thermodynamic, electronic, magneto-optical properties of 500 distinct intrinsic point defects in 2D Materials. The properties are calculated by density functional theory (DFT) as implemented in the GPAW electronic structure code. The workflow was constructed using the Atomic Simulation Recipes (ASR) and executed with the MyQueue task manager. For each defect, different charge states are available resulting in more than 2000 rows for this database.

A detailed description of how to access the data and how to work with it in practice is described on the webpages of the QPOD database.

Funding

Controlling light-matter interactions by quantum designed 2D materials

European Research Council

Find out more...

Novel Materials Discovery

European Commission

Find out more...

History

Related publications (DOI or link to DTU Orbit, DTU Findit)

ORCID for corresponding depositor